2-Chloroethyl 2,4-dinitrobenzenesulfonate
TL;DR: 2-Chloroethyl 2,4-dinitrobenzenesulfonate (CAS 3183-91-3) is a chemical compound with molecular formula C8H7ClN2O7S and molecular weight 309.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl 2,4-dinitrobenzenesulfonate
Also Known As: 2-chloroethyl 2,4-dinitrobenzenesulfonate, 1-(2-chloroethoxysulfonyl)-2,4-dinitro-benzene, 653-512-7, RefChem:470422
| Molecular Formula | C8H7ClN2O7S |
|---|---|
| Molecular Weight | 309.97 g/mol |
| LogP | 1.4471 |
| Topological Polar Surface Area | 129.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.96625 |
| Heavy Atoms | 19 |
| Complexity | 615.5235 |
Chemical Identifiers
| CAS Number | 3183-91-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)OCCCl |
Product Overview
2-Chloroethyl 2,4-dinitrobenzenesulfonate (CAS 3183-91-3), with molecular formula C8H7ClN2O7S and molecular weight 309.97 g/mol. IUPAC: 2-chloroethyl 2,4-dinitrobenzenesulfonate.
Chemical Property Profile of 2-Chloroethyl 2,4-dinitrobenzenesulfonate
Property Insights of 2-Chloroethyl 2,4-dinitrobenzenesulfonate
The XLogP value of 1.4471 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl 2,4-dinitrobenzenesulfonate. The TPSA of 129.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloroethyl 2,4-dinitrobenzenesulfonate. Following Lipinski's Rule of Five, 2-Chloroethyl 2,4-dinitrobenzenesulfonate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloroethyl 2,4-dinitrobenzenesulfonate?
The CAS number of 2-Chloroethyl 2,4-dinitrobenzenesulfonate is 3183-91-3.
What is the molecular formula of 2-Chloroethyl 2,4-dinitrobenzenesulfonate?
The molecular formula of 2-Chloroethyl 2,4-dinitrobenzenesulfonate is C8H7ClN2O7S.
What is the molecular weight of 2-Chloroethyl 2,4-dinitrobenzenesulfonate?
The molecular weight of 2-Chloroethyl 2,4-dinitrobenzenesulfonate is 309.97 g/mol.
Where can I buy 2-Chloroethyl 2,4-dinitrobenzenesulfonate?
You can request a quote for 2-Chloroethyl 2,4-dinitrobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl 2,4-dinitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl 2,4-dinitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.